SCHEMBL5269486

SCHEMBL5269486

CON=C1CCCCN1c1ccc(N2CC(NC(=O)Oc3ccc(Br)s3)CC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ENPP2 Q13822 7/20 0.39
ALDH1A1 P00352 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
F10 P00742 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4516551 0.87 F10 (0.47) TP53LMNAMAPTENPP2ALDH1A1
SCHEMBL4516548 0.87 F10 (0.47) TP53LMNAMAPTENPP2ALDH1A1
SCHEMBL5266162 0.85 F10 (0.42) TP53LMNAMAPTKDM4EENPP2
SCHEMBL5264221 0.81 TP53 (0.41) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL2765417 0.80 LMNA (0.42) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL2766124 0.76 LMNA (0.44) TP53LMNAMAPTKDM4E
SCHEMBL2767435 0.75 LMNA (0.48) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL2765569 0.75 LMNA (0.46) TP53LMNAMAPTKDM4E
SCHEMBL2767137 0.75 LMNA (0.46) TP53LMNAMAPTKDM4E
SCHEMBL5267348 0.73 POLB (0.40) TP53LMNAMAPTENPP2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836198-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2007-09-26 EP disclosed
WO-2006069946-A1 SUBSTITUTED PYRROLIDINONES HAVING AN ANTITHROMBOTIC EFFECT, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 WO disclosed